Cas no 889938-99-2 (Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]-)
![Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/890000/889938-99-2x500.png)
889938-99-2 structure
Product Name:Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]-
CAS No:889938-99-2
MF:C11H8FNO2
MW:205.185126304626
CID:714277
PubChem ID:22831987
Update Time:2025-04-19
Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]-
- 1-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]ethanone
- 5-ACETYL-3(3-FLUOROPHENYL)-ISOXAZOLE
- 5-Acetyl-3(3-fluorophenyl)isoxazole
- 1-(3-(3-Fluorophenyl)isoxazol-5-yl)ethanone
- 889938-99-2
- SCHEMBL20507158
- 1-[3-(3-Fluorophenyl)-1,2-oxazol-5-yl]ethan-1-one
- DTXSID70628553
- FT-0690932
- 5-Acetyl-3-(3-fluorophenyl)isoxazole
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- Inchi： 1S/C11H8FNO2/c1-7(14)11-6-10(13-15-11)8-3-2-4-9(12)5-8/h2-6H,1H3
- InChI Key： SIHPOLPKOFXGNA-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)C1C=C(C(C)=O)ON=1
Computed Properties
- Exact Mass: 205.05400
- Monoisotopic Mass: 205.05390666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 1.232
- Boiling Point: 373.6°C at 760 mmHg
- Flash Point: 179.8°C
- Refractive Index: 1.527
- PSA: 43.10000
- LogP: 2.68330
Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]- Security Information
- Hazard Category Code： 22
-
Hazardous Material Identification：
Ethanone,1-[3-(3-fluorophenyl)-5-isoxazolyl]- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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